2-hydroxyethyl-methyl-[2-(16-methylheptadecanoylamino)ethyl]-[3-(16-methylheptadecanoylamino)propyl]azanium

Systemtic Name: 2-hydroxyethyl-methyl-[2-(16-methylheptadecanoylamino)ethyl]-[3-(16-methylheptadecanoylamino)propyl]azanium Openeye Name: 2-hydroxyethyl-methyl-[2-(16-methylheptadecanoylamino)ethyl]-[3-(16-methylheptadecanoylamino)propyl]ammonium CAS Name: 2-hydroxyethyl-methyl-[2-[(16-methyl-1-oxoheptadecyl)amino]ethyl]-[3-[(16-methyl-1-oxoheptadecyl)amino]propyl]ammonium IUPAC Name: 2-hydroxyethyl-methyl-[2-(16-methylheptadecanoylamino)ethyl]-[3-(16-methylheptadecanoylamino)propyl]azanium Traditional Name: 2-hydroxyethyl-methyl-[2-(16-methylheptadecanoylamino)ethyl]-[3-(16-methylheptadecanoylamino)propyl]ammonium Formula: C44H90N3O3+ MolecularWeight: 709.2037

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC(=O)NCCC[N+](C)(CCNC(=O)CCCCCCCCCCCCCCC(C)C)CCO

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC(=O)NCCC[N+](C)(CCNC(=O)CCCCCCCCCCCCCCC(C)C)CCO

InChI

InChI=1S/C44H89N3O3/c1-41(2)31-26-22-18-14-10-6-8-12-16-20-24-28-33-43(49)45-35-30-37-47(5,39-40-48)38-36-46-44(50)34-29-25-21-17-13-9-7-11-15-19-23-27-32-42(3)4/h41-42,48H,6-40H2,1-5H3,(H-,45,46,49,50)/p+1